SCHEMBL7377150

SCHEMBL7377150

[O]CC#CC#Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ FFAR1 O14842 3/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PAM P19021 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CA12 O43570 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL96139 0.83 CYP1A2 (0.58) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL403663 0.80 APP (0.73) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17312253 0.80 APP (0.73) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30495998 0.80 APP (0.73) APPCYP1A2CYP3A4CYP2C9CYP2C19
Benzene SCHEMBL28733255 0.80 APP (0.73) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28470229 0.77 NPSR1 (0.52) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7377156 0.77 APP (0.48) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9121457 0.77 APP (0.69) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9487985 0.76 LMNA (0.46) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28973803 0.75 CYP1A2 (0.61) APPCYP1A2CYP3A4CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696268-A REACTING N-ACYLAMINO ACID DERIVATIVE WITH OPTICALLY ACTIVE ENAMINE DERIVATIVE, REACTING PRODUCT WITH AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-12-09 — — US claimed
US-5644059-A REACTION OF KETONE WITH ACRYLAMIDE AND AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-07-01 — — US claimed
EP-0488345-A1 1,4-Dihydropyridine derivatives and methods of producing the same FUJIREBIO INC. (JP) 1992-06-03 — — EP claimed
US-5859244-A EXHIBIT VASODILATING ACTIVITY BASED ON CALCIUM ANTAGONISM AND PLATELET-ACTIVATING FACTOR ANTAGONISM FUJIREBIO, INC. (JP) 1999-01-12 — — US disclosed
US-5763614-A VASODILATION BASED ON CALCIUM ANTAGONISM AND PAF ANTAGONISM FUJIREBIO INC. (JP) 1998-06-09 — — US disclosed
US-5696268-A REACTING N-ACYLAMINO ACID DERIVATIVE WITH OPTICALLY ACTIVE ENAMINE DERIVATIVE, REACTING PRODUCT WITH AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-12-09 — — US disclosed
US-5644059-A REACTION OF KETONE WITH ACRYLAMIDE AND AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-07-01 — — US disclosed
US-5367081-A Vasodilator, antiallergen FUJIREBIO INC. (JP) 1994-11-22 — — US disclosed
EP-0488345-A1 1,4-Dihydropyridine derivatives and methods of producing the same FUJIREBIO INC. (JP) 1992-06-03 — — EP disclosed
Send feedback